free-energy-surface

There are 0 repository under free-energy-surface topic.

• sbhakat / Plotting-MD-Metadynamics

  Jupyter Notebook showing how to plot FES, histograms and time-series data using Matplotlib.

  free-energy-surfacematplotlibmetadynamics-simulationsmolecular-dynamics-simulationplotting
  Language:Jupyter Notebook 10

• charlesdavid / JEDi

  JEDi: Java Essential Dynamics Inspector

  essential-dynamicspcasubspace-analysisrmsipprincipal-anglespca-mode-visualizationfree-energy-surface
  Language:Java 5

• danieljsharpe / metadynamics

  C++ implementation of metadynamics simulation on a potential energy surface

  computational-chemistrycomputational-physicscomputational-scienceenhanced-samplingfree-energyfree-energy-calculationsfree-energy-surfacemetadynamicsphysicsphysics-simulationsimulation
  Language:C++ 2
• Non-Equilibrium-Toolbox

  SalapakaLab-SIMBioSys / Non-Equilibrium-Toolbox

  Toolkit for quantifying errors in non-equilibrium data

  biochemistrybiophysicsfree-energy-calculationsfree-energy-surfacejarzynski-equalitynon-equilibrium
  Language:Python 2